Information card for entry 7056104

Structure parameters

• Formula: C30 H20 F2
• Calculated formula: C30 H20 F2
• SMILES: c1(cc(/C=C/c2c3ccccc3c(/C=C/c3cccc(c3)F)c3ccccc23)ccc1)F
• Title of publication: Tuning the structures and photophysical properties of 9,10-distyrylanthrance (DSA) via fluorine substitution
• Authors of publication: Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Zhang, Yawen; Ma, Yu-Heng; Sun, Baiwang
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 9.363 ± 0.0019 Å
• b: 5.22 ± 0.001 Å
• c: 21.662 ± 0.004 Å
• α: 90°
• β: 96.92 ± 0.03°
• γ: 90°
• Cell volume: 1051 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.1188
• Weighted residual factors for significantly intense reflections: 0.3553
• Weighted residual factors for all reflections included in the refinement: 0.3852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.455
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No